USER MOD reduce.3.24.130724 H: found=0, std=0, add=547, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 545 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -156:sc= -0.0318 (180deg=-0.483) USER MOD Single : A 1 MET N :NH3+ -138:sc= 1.12 (180deg=0.804) USER MOD Single : A 2 GLN : amide:sc= -0.388 X(o=-0.39,f=-0.3) USER MOD Single : A 8 GLN : amide:sc= 0.252 X(o=0.25,f=0) USER MOD Single : A 11 HIS :FLIP no HD1:sc= -1.06 F(o=-1.6,f=-1.1) USER MOD Single : A 12 THR OG1 : rot -108:sc= 0.531 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 20 THR OG1 : rot 180:sc= -0.779 USER MOD Single : A 23 GLN : amide:sc= -0.0988 X(o=-0.099,f=-0.089) USER MOD Single : A 25 LYS NZ :NH3+ -153:sc= 1.16 (180deg=0.627) USER MOD Single : A 27 HIS : no HD1:sc= -0.253 X(o=-0.25,f=0.05) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -1.86 K(o=-1.9,f=-3.6!) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0.204 USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 57 CYS SG : rot 74:sc= 0.0126 USER MOD Single : A 63 THR OG1 : rot 107:sc= 0.406 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.761 0.660 -0.729 1.00 0.00 N ATOM 2 CA MET A 1 2.850 0.468 -1.714 1.00 0.00 C ATOM 3 C MET A 1 3.588 -0.849 -1.425 1.00 0.00 C ATOM 4 O MET A 1 4.504 -0.891 -0.600 1.00 0.00 O ATOM 5 CB MET A 1 3.840 1.670 -1.684 1.00 0.00 C ATOM 6 CG MET A 1 5.051 1.545 -2.627 1.00 0.00 C ATOM 7 SD MET A 1 6.275 2.850 -2.372 1.00 0.00 S ATOM 8 CE MET A 1 5.319 4.320 -2.724 1.00 0.00 C ATOM 0 H1 MET A 1 0.913 1.015 -1.214 1.00 0.00 H new ATOM 0 H2 MET A 1 1.543 -0.248 -0.271 1.00 0.00 H new ATOM 0 H3 MET A 1 2.061 1.348 -0.009 1.00 0.00 H new ATOM 0 HA MET A 1 2.415 0.417 -2.712 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.293 2.577 -1.940 1.00 0.00 H new ATOM 0 HB3 MET A 1 4.205 1.794 -0.664 1.00 0.00 H new ATOM 0 HG2 MET A 1 5.524 0.575 -2.476 1.00 0.00 H new ATOM 0 HG3 MET A 1 4.706 1.574 -3.660 1.00 0.00 H new ATOM 0 HE1 MET A 1 5.988 5.126 -3.024 1.00 0.00 H new ATOM 0 HE2 MET A 1 4.616 4.112 -3.531 1.00 0.00 H new ATOM 0 HE3 MET A 1 4.769 4.619 -1.832 1.00 0.00 H new ATOM 18 N GLN A 2 3.138 -1.945 -2.056 1.00 0.00 N ATOM 19 CA GLN A 2 3.865 -3.224 -2.023 1.00 0.00 C ATOM 20 C GLN A 2 4.818 -3.262 -3.224 1.00 0.00 C ATOM 21 O GLN A 2 4.377 -3.404 -4.371 1.00 0.00 O ATOM 22 CB GLN A 2 2.893 -4.437 -2.043 1.00 0.00 C ATOM 23 CG GLN A 2 3.598 -5.809 -1.958 1.00 0.00 C ATOM 24 CD GLN A 2 2.649 -7.014 -1.975 1.00 0.00 C ATOM 25 OE1 GLN A 2 1.508 -6.938 -1.526 1.00 0.00 O ATOM 26 NE2 GLN A 2 3.121 -8.139 -2.499 1.00 0.00 N ATOM 0 H GLN A 2 2.273 -1.971 -2.596 1.00 0.00 H new ATOM 0 HA GLN A 2 4.430 -3.297 -1.094 1.00 0.00 H new ATOM 0 HB2 GLN A 2 2.197 -4.345 -1.209 1.00 0.00 H new ATOM 0 HB3 GLN A 2 2.301 -4.400 -2.958 1.00 0.00 H new ATOM 0 HG2 GLN A 2 4.293 -5.898 -2.793 1.00 0.00 H new ATOM 0 HG3 GLN A 2 4.191 -5.843 -1.044 1.00 0.00 H new ATOM 0 HE21 GLN A 2 4.073 -8.172 -2.864 1.00 0.00 H new ATOM 0 HE22 GLN A 2 2.532 -8.971 -2.537 1.00 0.00 H new ATOM 35 N LEU A 3 6.121 -3.069 -2.955 1.00 0.00 N ATOM 36 CA LEU A 3 7.171 -3.062 -3.981 1.00 0.00 C ATOM 37 C LEU A 3 8.126 -4.251 -3.765 1.00 0.00 C ATOM 38 O LEU A 3 8.139 -4.855 -2.692 1.00 0.00 O ATOM 39 CB LEU A 3 7.908 -1.674 -3.969 1.00 0.00 C ATOM 40 CG LEU A 3 8.683 -1.227 -2.659 1.00 0.00 C ATOM 41 CD1 LEU A 3 10.079 -1.892 -2.525 1.00 0.00 C ATOM 42 CD2 LEU A 3 8.817 0.316 -2.593 1.00 0.00 C ATOM 0 H LEU A 3 6.475 -2.913 -2.011 1.00 0.00 H new ATOM 0 HA LEU A 3 6.734 -3.187 -4.972 1.00 0.00 H new ATOM 0 HB2 LEU A 3 8.624 -1.674 -4.791 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.167 -0.906 -4.192 1.00 0.00 H new ATOM 0 HG LEU A 3 8.082 -1.571 -1.817 1.00 0.00 H new ATOM 0 HD11 LEU A 3 10.560 -1.547 -1.610 1.00 0.00 H new ATOM 0 HD12 LEU A 3 9.964 -2.975 -2.488 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.695 -1.621 -3.383 1.00 0.00 H new ATOM 0 HD21 LEU A 3 9.352 0.596 -1.686 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.368 0.671 -3.464 1.00 0.00 H new ATOM 0 HD23 LEU A 3 7.825 0.767 -2.583 1.00 0.00 H new ATOM 54 N PHE A 4 8.925 -4.578 -4.787 1.00 0.00 N ATOM 55 CA PHE A 4 9.946 -5.640 -4.715 1.00 0.00 C ATOM 56 C PHE A 4 11.337 -5.005 -4.669 1.00 0.00 C ATOM 57 O PHE A 4 11.519 -3.842 -5.063 1.00 0.00 O ATOM 58 CB PHE A 4 9.831 -6.603 -5.923 1.00 0.00 C ATOM 59 CG PHE A 4 8.430 -7.181 -6.115 1.00 0.00 C ATOM 60 CD1 PHE A 4 8.046 -8.355 -5.470 1.00 0.00 C ATOM 61 CD2 PHE A 4 7.493 -6.544 -6.936 1.00 0.00 C ATOM 62 CE1 PHE A 4 6.777 -8.876 -5.634 1.00 0.00 C ATOM 63 CE2 PHE A 4 6.225 -7.065 -7.100 1.00 0.00 C ATOM 64 CZ PHE A 4 5.869 -8.234 -6.451 1.00 0.00 C ATOM 0 H PHE A 4 8.885 -4.113 -5.694 1.00 0.00 H new ATOM 0 HA PHE A 4 9.784 -6.223 -3.808 1.00 0.00 H new ATOM 0 HB2 PHE A 4 10.123 -6.072 -6.829 1.00 0.00 H new ATOM 0 HB3 PHE A 4 10.538 -7.422 -5.792 1.00 0.00 H new ATOM 0 HD1 PHE A 4 8.752 -8.866 -4.832 1.00 0.00 H new ATOM 0 HD2 PHE A 4 7.765 -5.633 -7.448 1.00 0.00 H new ATOM 0 HE1 PHE A 4 6.496 -9.785 -5.123 1.00 0.00 H new ATOM 0 HE2 PHE A 4 5.511 -6.560 -7.734 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.879 -8.645 -6.584 1.00 0.00 H new ATOM 74 N VAL A 5 12.311 -5.775 -4.170 1.00 0.00 N ATOM 75 CA VAL A 5 13.711 -5.356 -4.056 1.00 0.00 C ATOM 76 C VAL A 5 14.630 -6.429 -4.667 1.00 0.00 C ATOM 77 O VAL A 5 14.744 -7.549 -4.129 1.00 0.00 O ATOM 78 CB VAL A 5 14.130 -5.059 -2.560 1.00 0.00 C ATOM 79 CG1 VAL A 5 15.649 -4.797 -2.454 1.00 0.00 C ATOM 80 CG2 VAL A 5 13.332 -3.866 -1.971 1.00 0.00 C ATOM 0 H VAL A 5 12.145 -6.722 -3.829 1.00 0.00 H new ATOM 0 HA VAL A 5 13.820 -4.423 -4.609 1.00 0.00 H new ATOM 0 HB VAL A 5 13.889 -5.945 -1.973 1.00 0.00 H new ATOM 0 HG11 VAL A 5 15.912 -4.595 -1.416 1.00 0.00 H new ATOM 0 HG12 VAL A 5 16.195 -5.674 -2.803 1.00 0.00 H new ATOM 0 HG13 VAL A 5 15.914 -3.937 -3.069 1.00 0.00 H new ATOM 0 HG21 VAL A 5 13.646 -3.691 -0.942 1.00 0.00 H new ATOM 0 HG22 VAL A 5 13.522 -2.972 -2.566 1.00 0.00 H new ATOM 0 HG23 VAL A 5 12.267 -4.096 -1.991 1.00 0.00 H new ATOM 90 N ARG A 6 15.267 -6.067 -5.800 1.00 0.00 N ATOM 91 CA ARG A 6 16.292 -6.878 -6.461 1.00 0.00 C ATOM 92 C ARG A 6 17.580 -6.873 -5.608 1.00 0.00 C ATOM 93 O ARG A 6 18.428 -5.978 -5.707 1.00 0.00 O ATOM 94 CB ARG A 6 16.546 -6.345 -7.912 1.00 0.00 C ATOM 95 CG ARG A 6 17.740 -6.987 -8.665 1.00 0.00 C ATOM 96 CD ARG A 6 17.600 -8.506 -8.856 1.00 0.00 C ATOM 97 NE ARG A 6 18.840 -9.099 -9.384 1.00 0.00 N ATOM 98 CZ ARG A 6 19.027 -10.408 -9.652 1.00 0.00 C ATOM 99 NH1 ARG A 6 18.045 -11.297 -9.496 1.00 0.00 N ATOM 100 NH2 ARG A 6 20.203 -10.839 -10.074 1.00 0.00 N ATOM 0 H ARG A 6 15.076 -5.189 -6.283 1.00 0.00 H new ATOM 0 HA ARG A 6 15.952 -7.910 -6.550 1.00 0.00 H new ATOM 0 HB2 ARG A 6 15.642 -6.503 -8.501 1.00 0.00 H new ATOM 0 HB3 ARG A 6 16.709 -5.269 -7.860 1.00 0.00 H new ATOM 0 HG2 ARG A 6 17.840 -6.514 -9.642 1.00 0.00 H new ATOM 0 HG3 ARG A 6 18.659 -6.781 -8.116 1.00 0.00 H new ATOM 0 HD2 ARG A 6 17.349 -8.972 -7.903 1.00 0.00 H new ATOM 0 HD3 ARG A 6 16.776 -8.714 -9.539 1.00 0.00 H new ATOM 0 HE ARG A 6 19.622 -8.468 -9.562 1.00 0.00 H new ATOM 0 HH11 ARG A 6 17.129 -10.992 -9.168 1.00 0.00 H new ATOM 0 HH12 ARG A 6 18.210 -12.282 -9.705 1.00 0.00 H new ATOM 0 HH21 ARG A 6 20.973 -10.181 -10.198 1.00 0.00 H new ATOM 0 HH22 ARG A 6 20.341 -11.829 -10.276 1.00 0.00 H new ATOM 114 N ALA A 7 17.654 -7.868 -4.731 1.00 0.00 N ATOM 115 CA ALA A 7 18.819 -8.184 -3.899 1.00 0.00 C ATOM 116 C ALA A 7 19.269 -9.617 -4.243 1.00 0.00 C ATOM 117 O ALA A 7 18.669 -10.240 -5.136 1.00 0.00 O ATOM 118 CB ALA A 7 18.454 -8.023 -2.418 1.00 0.00 C ATOM 0 H ALA A 7 16.874 -8.505 -4.571 1.00 0.00 H new ATOM 0 HA ALA A 7 19.647 -7.503 -4.094 1.00 0.00 H new ATOM 0 HB1 ALA A 7 19.322 -8.259 -1.802 1.00 0.00 H new ATOM 0 HB2 ALA A 7 18.143 -6.995 -2.230 1.00 0.00 H new ATOM 0 HB3 ALA A 7 17.637 -8.701 -2.169 1.00 0.00 H new ATOM 124 N GLN A 8 20.335 -10.140 -3.582 1.00 0.00 N ATOM 125 CA GLN A 8 20.805 -11.541 -3.825 1.00 0.00 C ATOM 126 C GLN A 8 19.661 -12.539 -3.508 1.00 0.00 C ATOM 127 O GLN A 8 19.526 -13.587 -4.158 1.00 0.00 O ATOM 128 CB GLN A 8 22.099 -11.869 -3.005 1.00 0.00 C ATOM 129 CG GLN A 8 21.873 -12.244 -1.531 1.00 0.00 C ATOM 130 CD GLN A 8 23.143 -12.213 -0.683 1.00 0.00 C ATOM 131 OE1 GLN A 8 23.853 -13.211 -0.564 1.00 0.00 O ATOM 132 NE2 GLN A 8 23.437 -11.064 -0.099 1.00 0.00 N ATOM 0 H GLN A 8 20.880 -9.628 -2.888 1.00 0.00 H new ATOM 0 HA GLN A 8 21.072 -11.639 -4.877 1.00 0.00 H new ATOM 0 HB2 GLN A 8 22.620 -12.692 -3.495 1.00 0.00 H new ATOM 0 HB3 GLN A 8 22.761 -11.004 -3.044 1.00 0.00 H new ATOM 0 HG2 GLN A 8 21.143 -11.559 -1.100 1.00 0.00 H new ATOM 0 HG3 GLN A 8 21.440 -13.243 -1.483 1.00 0.00 H new ATOM 0 HE21 GLN A 8 22.824 -10.258 -0.221 1.00 0.00 H new ATOM 0 HE22 GLN A 8 24.277 -10.983 0.474 1.00 0.00 H new ATOM 141 N GLU A 9 18.835 -12.174 -2.510 1.00 0.00 N ATOM 142 CA GLU A 9 17.534 -12.805 -2.239 1.00 0.00 C ATOM 143 C GLU A 9 16.446 -11.764 -2.582 1.00 0.00 C ATOM 144 O GLU A 9 16.521 -10.627 -2.094 1.00 0.00 O ATOM 145 CB GLU A 9 17.417 -13.219 -0.742 1.00 0.00 C ATOM 146 CG GLU A 9 18.606 -14.026 -0.177 1.00 0.00 C ATOM 147 CD GLU A 9 18.907 -15.329 -0.943 1.00 0.00 C ATOM 148 OE1 GLU A 9 18.032 -16.223 -0.983 1.00 0.00 O ATOM 149 OE2 GLU A 9 20.027 -15.483 -1.486 1.00 0.00 O ATOM 0 H GLU A 9 19.058 -11.420 -1.860 1.00 0.00 H new ATOM 0 HA GLU A 9 17.421 -13.709 -2.838 1.00 0.00 H new ATOM 0 HB2 GLU A 9 17.296 -12.317 -0.143 1.00 0.00 H new ATOM 0 HB3 GLU A 9 16.509 -13.809 -0.617 1.00 0.00 H new ATOM 0 HG2 GLU A 9 19.496 -13.397 -0.189 1.00 0.00 H new ATOM 0 HG3 GLU A 9 18.402 -14.270 0.866 1.00 0.00 H new ATOM 156 N LEU A 10 15.458 -12.135 -3.421 1.00 0.00 N ATOM 157 CA LEU A 10 14.355 -11.222 -3.807 1.00 0.00 C ATOM 158 C LEU A 10 13.456 -10.980 -2.573 1.00 0.00 C ATOM 159 O LEU A 10 12.901 -11.931 -2.005 1.00 0.00 O ATOM 160 CB LEU A 10 13.542 -11.817 -5.017 1.00 0.00 C ATOM 161 CG LEU A 10 12.462 -10.897 -5.740 1.00 0.00 C ATOM 162 CD1 LEU A 10 11.167 -10.687 -4.912 1.00 0.00 C ATOM 163 CD2 LEU A 10 13.074 -9.540 -6.159 1.00 0.00 C ATOM 0 H LEU A 10 15.398 -13.060 -3.846 1.00 0.00 H new ATOM 0 HA LEU A 10 14.760 -10.266 -4.138 1.00 0.00 H new ATOM 0 HB2 LEU A 10 14.260 -12.138 -5.771 1.00 0.00 H new ATOM 0 HB3 LEU A 10 13.030 -12.712 -4.663 1.00 0.00 H new ATOM 0 HG LEU A 10 12.163 -11.441 -6.636 1.00 0.00 H new ATOM 0 HD11 LEU A 10 10.479 -10.050 -5.468 1.00 0.00 H new ATOM 0 HD12 LEU A 10 10.696 -11.652 -4.722 1.00 0.00 H new ATOM 0 HD13 LEU A 10 11.415 -10.211 -3.963 1.00 0.00 H new ATOM 0 HD21 LEU A 10 12.313 -8.934 -6.650 1.00 0.00 H new ATOM 0 HD22 LEU A 10 13.440 -9.017 -5.275 1.00 0.00 H new ATOM 0 HD23 LEU A 10 13.901 -9.711 -6.848 1.00 0.00 H new ATOM 175 N HIS A 11 13.341 -9.708 -2.162 1.00 0.00 N ATOM 176 CA HIS A 11 12.518 -9.294 -1.008 1.00 0.00 C ATOM 177 C HIS A 11 11.312 -8.481 -1.500 1.00 0.00 C ATOM 178 O HIS A 11 11.332 -7.945 -2.608 1.00 0.00 O ATOM 179 CB HIS A 11 13.373 -8.464 -0.010 1.00 0.00 C ATOM 180 CG HIS A 11 14.596 -9.182 0.493 1.00 0.00 C ATOM 181 ND1 HIS A 11 15.904 -8.816 0.524 1.00 0.00 N flip ATOM 182 CD2 HIS A 11 14.564 -10.469 0.984 1.00 0.00 C flip ATOM 183 CE1 HIS A 11 16.617 -9.869 1.030 1.00 0.00 C flip ATOM 184 NE2 HIS A 11 15.780 -10.847 1.309 1.00 0.00 N flip ATOM 0 H HIS A 11 13.817 -8.932 -2.621 1.00 0.00 H new ATOM 0 HA HIS A 11 12.154 -10.180 -0.488 1.00 0.00 H new ATOM 0 HB2 HIS A 11 13.682 -7.538 -0.495 1.00 0.00 H new ATOM 0 HB3 HIS A 11 12.752 -8.186 0.841 1.00 0.00 H new ATOM 0 HD2 HIS A 11 13.676 -11.075 1.086 1.00 0.00 H new ATOM 0 HE1 HIS A 11 17.687 -9.894 1.176 1.00 0.00 H new ATOM 0 HE2 HIS A 11 16.034 -11.749 1.711 1.00 0.00 H new ATOM 193 N THR A 12 10.260 -8.416 -0.677 1.00 0.00 N ATOM 194 CA THR A 12 9.038 -7.639 -0.951 1.00 0.00 C ATOM 195 C THR A 12 8.658 -6.846 0.321 1.00 0.00 C ATOM 196 O THR A 12 8.712 -7.388 1.434 1.00 0.00 O ATOM 197 CB THR A 12 7.866 -8.592 -1.376 1.00 0.00 C ATOM 198 OG1 THR A 12 8.304 -9.453 -2.436 1.00 0.00 O ATOM 199 CG2 THR A 12 6.621 -7.820 -1.842 1.00 0.00 C ATOM 0 H THR A 12 10.230 -8.909 0.215 1.00 0.00 H new ATOM 0 HA THR A 12 9.220 -6.946 -1.773 1.00 0.00 H new ATOM 0 HB THR A 12 7.589 -9.173 -0.496 1.00 0.00 H new ATOM 0 HG1 THR A 12 7.880 -9.179 -3.276 1.00 0.00 H new ATOM 0 HG21 THR A 12 5.840 -8.526 -2.125 1.00 0.00 H new ATOM 0 HG22 THR A 12 6.261 -7.186 -1.031 1.00 0.00 H new ATOM 0 HG23 THR A 12 6.878 -7.200 -2.701 1.00 0.00 H new ATOM 207 N PHE A 13 8.293 -5.552 0.151 1.00 0.00 N ATOM 208 CA PHE A 13 8.005 -4.622 1.267 1.00 0.00 C ATOM 209 C PHE A 13 6.699 -3.857 1.005 1.00 0.00 C ATOM 210 O PHE A 13 6.546 -3.223 -0.041 1.00 0.00 O ATOM 211 CB PHE A 13 9.182 -3.620 1.466 1.00 0.00 C ATOM 212 CG PHE A 13 10.474 -4.292 1.935 1.00 0.00 C ATOM 213 CD1 PHE A 13 10.633 -4.670 3.264 1.00 0.00 C ATOM 214 CD2 PHE A 13 11.511 -4.565 1.045 1.00 0.00 C ATOM 215 CE1 PHE A 13 11.783 -5.302 3.690 1.00 0.00 C ATOM 216 CE2 PHE A 13 12.659 -5.199 1.471 1.00 0.00 C ATOM 217 CZ PHE A 13 12.799 -5.564 2.794 1.00 0.00 C ATOM 0 H PHE A 13 8.190 -5.123 -0.769 1.00 0.00 H new ATOM 0 HA PHE A 13 7.891 -5.209 2.178 1.00 0.00 H new ATOM 0 HB2 PHE A 13 9.371 -3.100 0.527 1.00 0.00 H new ATOM 0 HB3 PHE A 13 8.888 -2.865 2.195 1.00 0.00 H new ATOM 0 HD1 PHE A 13 9.844 -4.466 3.973 1.00 0.00 H new ATOM 0 HD2 PHE A 13 11.414 -4.276 0.009 1.00 0.00 H new ATOM 0 HE1 PHE A 13 11.888 -5.592 4.725 1.00 0.00 H new ATOM 0 HE2 PHE A 13 13.450 -5.410 0.767 1.00 0.00 H new ATOM 0 HZ PHE A 13 13.702 -6.054 3.128 1.00 0.00 H new ATOM 227 N GLU A 14 5.756 -3.939 1.964 1.00 0.00 N ATOM 228 CA GLU A 14 4.534 -3.123 1.972 1.00 0.00 C ATOM 229 C GLU A 14 4.751 -1.925 2.908 1.00 0.00 C ATOM 230 O GLU A 14 4.799 -2.069 4.138 1.00 0.00 O ATOM 231 CB GLU A 14 3.305 -3.980 2.400 1.00 0.00 C ATOM 232 CG GLU A 14 1.971 -3.213 2.593 1.00 0.00 C ATOM 233 CD GLU A 14 1.580 -2.313 1.404 1.00 0.00 C ATOM 234 OE1 GLU A 14 1.056 -2.823 0.394 1.00 0.00 O ATOM 235 OE2 GLU A 14 1.800 -1.085 1.480 1.00 0.00 O ATOM 0 H GLU A 14 5.824 -4.577 2.757 1.00 0.00 H new ATOM 0 HA GLU A 14 4.324 -2.752 0.969 1.00 0.00 H new ATOM 0 HB2 GLU A 14 3.149 -4.755 1.650 1.00 0.00 H new ATOM 0 HB3 GLU A 14 3.548 -4.485 3.335 1.00 0.00 H new ATOM 0 HG2 GLU A 14 1.172 -3.934 2.766 1.00 0.00 H new ATOM 0 HG3 GLU A 14 2.045 -2.598 3.490 1.00 0.00 H new ATOM 242 N VAL A 15 4.939 -0.748 2.292 1.00 0.00 N ATOM 243 CA VAL A 15 5.131 0.534 2.973 1.00 0.00 C ATOM 244 C VAL A 15 4.020 1.512 2.546 1.00 0.00 C ATOM 245 O VAL A 15 3.417 1.348 1.486 1.00 0.00 O ATOM 246 CB VAL A 15 6.553 1.144 2.640 1.00 0.00 C ATOM 247 CG1 VAL A 15 7.687 0.176 3.062 1.00 0.00 C ATOM 248 CG2 VAL A 15 6.689 1.532 1.138 1.00 0.00 C ATOM 0 H VAL A 15 4.962 -0.663 1.276 1.00 0.00 H new ATOM 0 HA VAL A 15 5.079 0.370 4.049 1.00 0.00 H new ATOM 0 HB VAL A 15 6.649 2.061 3.221 1.00 0.00 H new ATOM 0 HG11 VAL A 15 8.653 0.620 2.822 1.00 0.00 H new ATOM 0 HG12 VAL A 15 7.629 -0.007 4.135 1.00 0.00 H new ATOM 0 HG13 VAL A 15 7.578 -0.767 2.527 1.00 0.00 H new ATOM 0 HG21 VAL A 15 7.681 1.946 0.958 1.00 0.00 H new ATOM 0 HG22 VAL A 15 6.547 0.646 0.519 1.00 0.00 H new ATOM 0 HG23 VAL A 15 5.934 2.276 0.885 1.00 0.00 H new ATOM 258 N THR A 16 3.760 2.530 3.371 1.00 0.00 N ATOM 259 CA THR A 16 2.816 3.612 3.027 1.00 0.00 C ATOM 260 C THR A 16 3.453 4.602 2.009 1.00 0.00 C ATOM 261 O THR A 16 2.755 5.392 1.367 1.00 0.00 O ATOM 262 CB THR A 16 2.371 4.362 4.328 1.00 0.00 C ATOM 263 OG1 THR A 16 1.950 3.405 5.312 1.00 0.00 O ATOM 264 CG2 THR A 16 1.221 5.362 4.093 1.00 0.00 C ATOM 0 H THR A 16 4.191 2.633 4.290 1.00 0.00 H new ATOM 0 HA THR A 16 1.937 3.172 2.556 1.00 0.00 H new ATOM 0 HB THR A 16 3.236 4.931 4.669 1.00 0.00 H new ATOM 0 HG1 THR A 16 1.673 3.874 6.127 1.00 0.00 H new ATOM 0 HG21 THR A 16 0.962 5.846 5.034 1.00 0.00 H new ATOM 0 HG22 THR A 16 1.536 6.116 3.372 1.00 0.00 H new ATOM 0 HG23 THR A 16 0.351 4.831 3.707 1.00 0.00 H new ATOM 272 N GLY A 17 4.791 4.510 1.843 1.00 0.00 N ATOM 273 CA GLY A 17 5.560 5.467 1.052 1.00 0.00 C ATOM 274 C GLY A 17 6.315 6.438 1.949 1.00 0.00 C ATOM 275 O GLY A 17 7.415 6.868 1.621 1.00 0.00 O ATOM 0 H GLY A 17 5.357 3.769 2.256 1.00 0.00 H new ATOM 0 HA2 GLY A 17 6.265 4.933 0.414 1.00 0.00 H new ATOM 0 HA3 GLY A 17 4.890 6.021 0.394 1.00 0.00 H new ATOM 279 N GLN A 18 5.717 6.735 3.118 1.00 0.00 N ATOM 280 CA GLN A 18 6.295 7.641 4.134 1.00 0.00 C ATOM 281 C GLN A 18 7.519 7.021 4.844 1.00 0.00 C ATOM 282 O GLN A 18 8.141 7.676 5.688 1.00 0.00 O ATOM 283 CB GLN A 18 5.212 8.005 5.184 1.00 0.00 C ATOM 284 CG GLN A 18 4.730 6.807 6.031 1.00 0.00 C ATOM 285 CD GLN A 18 3.718 7.169 7.118 1.00 0.00 C ATOM 286 OE1 GLN A 18 2.944 8.114 6.978 1.00 0.00 O ATOM 287 NE2 GLN A 18 3.724 6.421 8.214 1.00 0.00 N ATOM 0 H GLN A 18 4.812 6.351 3.388 1.00 0.00 H new ATOM 0 HA GLN A 18 6.636 8.538 3.617 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.609 8.771 5.850 1.00 0.00 H new ATOM 0 HB3 GLN A 18 4.355 8.442 4.671 1.00 0.00 H new ATOM 0 HG2 GLN A 18 4.284 6.065 5.368 1.00 0.00 H new ATOM 0 HG3 GLN A 18 5.595 6.337 6.499 1.00 0.00 H new ATOM 0 HE21 GLN A 18 4.380 5.644 8.298 1.00 0.00 H new ATOM 0 HE22 GLN A 18 3.073 6.623 8.973 1.00 0.00 H new ATOM 296 N GLU A 19 7.832 5.754 4.529 1.00 0.00 N ATOM 297 CA GLU A 19 9.024 5.078 5.051 1.00 0.00 C ATOM 298 C GLU A 19 10.268 5.522 4.260 1.00 0.00 C ATOM 299 O GLU A 19 10.175 5.781 3.058 1.00 0.00 O ATOM 300 CB GLU A 19 8.858 3.534 4.994 1.00 0.00 C ATOM 301 CG GLU A 19 9.976 2.746 5.711 1.00 0.00 C ATOM 302 CD GLU A 19 10.055 3.056 7.225 1.00 0.00 C ATOM 303 OE1 GLU A 19 10.648 4.092 7.611 1.00 0.00 O ATOM 304 OE2 GLU A 19 9.509 2.274 8.030 1.00 0.00 O ATOM 0 H GLU A 19 7.267 5.174 3.908 1.00 0.00 H new ATOM 0 HA GLU A 19 9.153 5.360 6.096 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.899 3.267 5.439 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.823 3.223 3.950 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.807 1.678 5.572 1.00 0.00 H new ATOM 0 HG3 GLU A 19 10.934 2.980 5.247 1.00 0.00 H new ATOM 311 N THR A 20 11.421 5.618 4.948 1.00 0.00 N ATOM 312 CA THR A 20 12.681 6.065 4.329 1.00 0.00 C ATOM 313 C THR A 20 13.378 4.909 3.594 1.00 0.00 C ATOM 314 O THR A 20 13.221 3.730 3.954 1.00 0.00 O ATOM 315 CB THR A 20 13.658 6.679 5.385 1.00 0.00 C ATOM 316 OG1 THR A 20 13.939 5.714 6.411 1.00 0.00 O ATOM 317 CG2 THR A 20 13.094 7.964 6.024 1.00 0.00 C ATOM 0 H THR A 20 11.505 5.390 5.939 1.00 0.00 H new ATOM 0 HA THR A 20 12.421 6.840 3.608 1.00 0.00 H new ATOM 0 HB THR A 20 14.576 6.946 4.861 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.553 6.104 7.068 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.808 8.353 6.750 1.00 0.00 H new ATOM 0 HG22 THR A 20 12.922 8.711 5.249 1.00 0.00 H new ATOM 0 HG23 THR A 20 12.153 7.738 6.526 1.00 0.00 H new ATOM 325 N VAL A 21 14.178 5.272 2.574 1.00 0.00 N ATOM 326 CA VAL A 21 15.014 4.336 1.801 1.00 0.00 C ATOM 327 C VAL A 21 16.069 3.662 2.720 1.00 0.00 C ATOM 328 O VAL A 21 16.468 2.511 2.483 1.00 0.00 O ATOM 329 CB VAL A 21 15.688 5.108 0.598 1.00 0.00 C ATOM 330 CG1 VAL A 21 16.730 4.257 -0.148 1.00 0.00 C ATOM 331 CG2 VAL A 21 14.616 5.649 -0.389 1.00 0.00 C ATOM 0 H VAL A 21 14.263 6.239 2.259 1.00 0.00 H new ATOM 0 HA VAL A 21 14.392 3.540 1.391 1.00 0.00 H new ATOM 0 HB VAL A 21 16.222 5.952 1.034 1.00 0.00 H new ATOM 0 HG11 VAL A 21 17.159 4.839 -0.963 1.00 0.00 H new ATOM 0 HG12 VAL A 21 17.520 3.962 0.542 1.00 0.00 H new ATOM 0 HG13 VAL A 21 16.250 3.366 -0.552 1.00 0.00 H new ATOM 0 HG21 VAL A 21 15.107 6.176 -1.207 1.00 0.00 H new ATOM 0 HG22 VAL A 21 14.037 4.817 -0.789 1.00 0.00 H new ATOM 0 HG23 VAL A 21 13.951 6.334 0.136 1.00 0.00 H new ATOM 341 N ALA A 22 16.460 4.392 3.796 1.00 0.00 N ATOM 342 CA ALA A 22 17.397 3.914 4.829 1.00 0.00 C ATOM 343 C ALA A 22 16.856 2.653 5.513 1.00 0.00 C ATOM 344 O ALA A 22 17.550 1.640 5.603 1.00 0.00 O ATOM 345 CB ALA A 22 17.652 5.019 5.874 1.00 0.00 C ATOM 0 H ALA A 22 16.125 5.340 3.967 1.00 0.00 H new ATOM 0 HA ALA A 22 18.341 3.664 4.344 1.00 0.00 H new ATOM 0 HB1 ALA A 22 18.346 4.651 6.630 1.00 0.00 H new ATOM 0 HB2 ALA A 22 18.080 5.893 5.383 1.00 0.00 H new ATOM 0 HB3 ALA A 22 16.710 5.295 6.349 1.00 0.00 H new ATOM 351 N GLN A 23 15.584 2.726 5.958 1.00 0.00 N ATOM 352 CA GLN A 23 14.904 1.608 6.643 1.00 0.00 C ATOM 353 C GLN A 23 14.668 0.435 5.692 1.00 0.00 C ATOM 354 O GLN A 23 14.783 -0.721 6.105 1.00 0.00 O ATOM 355 CB GLN A 23 13.573 2.081 7.279 1.00 0.00 C ATOM 356 CG GLN A 23 13.738 3.145 8.380 1.00 0.00 C ATOM 357 CD GLN A 23 14.626 2.684 9.530 1.00 0.00 C ATOM 358 OE1 GLN A 23 14.154 2.058 10.480 1.00 0.00 O ATOM 359 NE2 GLN A 23 15.916 2.986 9.459 1.00 0.00 N ATOM 0 H GLN A 23 15.002 3.557 5.853 1.00 0.00 H new ATOM 0 HA GLN A 23 15.558 1.259 7.442 1.00 0.00 H new ATOM 0 HB2 GLN A 23 12.932 2.484 6.494 1.00 0.00 H new ATOM 0 HB3 GLN A 23 13.058 1.217 7.699 1.00 0.00 H new ATOM 0 HG2 GLN A 23 14.161 4.049 7.942 1.00 0.00 H new ATOM 0 HG3 GLN A 23 12.756 3.410 8.771 1.00 0.00 H new ATOM 0 HE21 GLN A 23 16.275 3.506 8.658 1.00 0.00 H new ATOM 0 HE22 GLN A 23 16.549 2.698 10.205 1.00 0.00 H new ATOM 368 N ILE A 24 14.365 0.751 4.411 1.00 0.00 N ATOM 369 CA ILE A 24 14.170 -0.263 3.350 1.00 0.00 C ATOM 370 C ILE A 24 15.430 -1.141 3.211 1.00 0.00 C ATOM 371 O ILE A 24 15.356 -2.364 3.343 1.00 0.00 O ATOM 372 CB ILE A 24 13.820 0.392 1.947 1.00 0.00 C ATOM 373 CG1 ILE A 24 12.498 1.219 2.036 1.00 0.00 C ATOM 374 CG2 ILE A 24 13.746 -0.666 0.801 1.00 0.00 C ATOM 375 CD1 ILE A 24 11.270 0.425 2.437 1.00 0.00 C ATOM 0 H ILE A 24 14.250 1.711 4.086 1.00 0.00 H new ATOM 0 HA ILE A 24 13.322 -0.878 3.650 1.00 0.00 H new ATOM 0 HB ILE A 24 14.635 1.071 1.697 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.640 2.027 2.754 1.00 0.00 H new ATOM 0 HG13 ILE A 24 12.312 1.683 1.067 1.00 0.00 H new ATOM 0 HG21 ILE A 24 13.504 -0.169 -0.138 1.00 0.00 H new ATOM 0 HG22 ILE A 24 14.708 -1.169 0.708 1.00 0.00 H new ATOM 0 HG23 ILE A 24 12.974 -1.400 1.033 1.00 0.00 H new ATOM 0 HD11 ILE A 24 10.404 1.086 2.471 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.094 -0.366 1.708 1.00 0.00 H new ATOM 0 HD13 ILE A 24 11.428 -0.017 3.421 1.00 0.00 H new ATOM 387 N LYS A 25 16.596 -0.489 2.996 1.00 0.00 N ATOM 388 CA LYS A 25 17.870 -1.201 2.764 1.00 0.00 C ATOM 389 C LYS A 25 18.399 -1.836 4.071 1.00 0.00 C ATOM 390 O LYS A 25 19.102 -2.839 4.025 1.00 0.00 O ATOM 391 CB LYS A 25 18.929 -0.279 2.103 1.00 0.00 C ATOM 392 CG LYS A 25 19.471 0.864 2.977 1.00 0.00 C ATOM 393 CD LYS A 25 20.582 1.651 2.242 1.00 0.00 C ATOM 394 CE LYS A 25 21.270 2.704 3.122 1.00 0.00 C ATOM 395 NZ LYS A 25 22.473 3.290 2.460 1.00 0.00 N ATOM 0 H LYS A 25 16.679 0.527 2.979 1.00 0.00 H new ATOM 0 HA LYS A 25 17.672 -2.011 2.062 1.00 0.00 H new ATOM 0 HB2 LYS A 25 19.770 -0.895 1.784 1.00 0.00 H new ATOM 0 HB3 LYS A 25 18.493 0.155 1.203 1.00 0.00 H new ATOM 0 HG2 LYS A 25 18.658 1.540 3.242 1.00 0.00 H new ATOM 0 HG3 LYS A 25 19.865 0.458 3.909 1.00 0.00 H new ATOM 0 HD2 LYS A 25 21.331 0.950 1.875 1.00 0.00 H new ATOM 0 HD3 LYS A 25 20.152 2.143 1.370 1.00 0.00 H new ATOM 0 HE2 LYS A 25 20.562 3.499 3.356 1.00 0.00 H new ATOM 0 HE3 LYS A 25 21.563 2.250 4.068 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 23.144 3.616 3.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 22.929 2.568 1.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 22.186 4.095 1.867 1.00 0.00 H new ATOM 409 N ALA A 26 18.049 -1.232 5.229 1.00 0.00 N ATOM 410 CA ALA A 26 18.347 -1.795 6.570 1.00 0.00 C ATOM 411 C ALA A 26 17.659 -3.166 6.748 1.00 0.00 C ATOM 412 O ALA A 26 18.286 -4.138 7.185 1.00 0.00 O ATOM 413 CB ALA A 26 17.904 -0.812 7.674 1.00 0.00 C ATOM 0 H ALA A 26 17.553 -0.342 5.263 1.00 0.00 H new ATOM 0 HA ALA A 26 19.424 -1.943 6.654 1.00 0.00 H new ATOM 0 HB1 ALA A 26 18.129 -1.238 8.652 1.00 0.00 H new ATOM 0 HB2 ALA A 26 18.438 0.131 7.557 1.00 0.00 H new ATOM 0 HB3 ALA A 26 16.832 -0.634 7.594 1.00 0.00 H new ATOM 419 N HIS A 27 16.361 -3.229 6.371 1.00 0.00 N ATOM 420 CA HIS A 27 15.556 -4.470 6.435 1.00 0.00 C ATOM 421 C HIS A 27 16.096 -5.506 5.447 1.00 0.00 C ATOM 422 O HIS A 27 16.180 -6.692 5.773 1.00 0.00 O ATOM 423 CB HIS A 27 14.051 -4.182 6.169 1.00 0.00 C ATOM 424 CG HIS A 27 13.287 -3.716 7.381 1.00 0.00 C ATOM 425 ND1 HIS A 27 12.298 -4.468 7.975 1.00 0.00 N ATOM 426 CD2 HIS A 27 13.376 -2.583 8.111 1.00 0.00 C ATOM 427 CE1 HIS A 27 11.824 -3.823 9.016 1.00 0.00 C ATOM 428 NE2 HIS A 27 12.459 -2.676 9.121 1.00 0.00 N ATOM 0 H HIS A 27 15.844 -2.425 6.015 1.00 0.00 H new ATOM 0 HA HIS A 27 15.639 -4.876 7.443 1.00 0.00 H new ATOM 0 HB2 HIS A 27 13.970 -3.425 5.389 1.00 0.00 H new ATOM 0 HB3 HIS A 27 13.582 -5.087 5.784 1.00 0.00 H new ATOM 0 HD2 HIS A 27 14.047 -1.756 7.930 1.00 0.00 H new ATOM 0 HE1 HIS A 27 11.044 -4.175 9.675 1.00 0.00 H new ATOM 0 HE2 HIS A 27 12.294 -1.971 9.839 1.00 0.00 H new ATOM 437 N VAL A 28 16.488 -5.037 4.247 1.00 0.00 N ATOM 438 CA VAL A 28 17.148 -5.887 3.239 1.00 0.00 C ATOM 439 C VAL A 28 18.419 -6.518 3.842 1.00 0.00 C ATOM 440 O VAL A 28 18.574 -7.724 3.793 1.00 0.00 O ATOM 441 CB VAL A 28 17.500 -5.098 1.914 1.00 0.00 C ATOM 442 CG1 VAL A 28 18.328 -5.955 0.921 1.00 0.00 C ATOM 443 CG2 VAL A 28 16.219 -4.562 1.232 1.00 0.00 C ATOM 0 H VAL A 28 16.358 -4.069 3.952 1.00 0.00 H new ATOM 0 HA VAL A 28 16.443 -6.670 2.960 1.00 0.00 H new ATOM 0 HB VAL A 28 18.121 -4.251 2.206 1.00 0.00 H new ATOM 0 HG11 VAL A 28 18.544 -5.369 0.028 1.00 0.00 H new ATOM 0 HG12 VAL A 28 19.263 -6.256 1.393 1.00 0.00 H new ATOM 0 HG13 VAL A 28 17.759 -6.842 0.644 1.00 0.00 H new ATOM 0 HG21 VAL A 28 16.489 -4.023 0.323 1.00 0.00 H new ATOM 0 HG22 VAL A 28 15.565 -5.397 0.979 1.00 0.00 H new ATOM 0 HG23 VAL A 28 15.699 -3.888 1.913 1.00 0.00 H new ATOM 453 N ALA A 29 19.276 -5.683 4.471 1.00 0.00 N ATOM 454 CA ALA A 29 20.560 -6.110 5.068 1.00 0.00 C ATOM 455 C ALA A 29 20.374 -7.122 6.204 1.00 0.00 C ATOM 456 O ALA A 29 21.211 -8.007 6.387 1.00 0.00 O ATOM 457 CB ALA A 29 21.312 -4.889 5.584 1.00 0.00 C ATOM 0 H ALA A 29 19.094 -4.685 4.579 1.00 0.00 H new ATOM 0 HA ALA A 29 21.134 -6.607 4.286 1.00 0.00 H new ATOM 0 HB1 ALA A 29 22.258 -5.204 6.024 1.00 0.00 H new ATOM 0 HB2 ALA A 29 21.506 -4.205 4.758 1.00 0.00 H new ATOM 0 HB3 ALA A 29 20.711 -4.384 6.340 1.00 0.00 H new ATOM 463 N SER A 30 19.285 -6.959 6.968 1.00 0.00 N ATOM 464 CA SER A 30 18.909 -7.881 8.057 1.00 0.00 C ATOM 465 C SER A 30 18.547 -9.275 7.494 1.00 0.00 C ATOM 466 O SER A 30 18.846 -10.297 8.118 1.00 0.00 O ATOM 467 CB SER A 30 17.725 -7.278 8.854 1.00 0.00 C ATOM 468 OG SER A 30 17.359 -8.079 9.973 1.00 0.00 O ATOM 0 H SER A 30 18.635 -6.182 6.850 1.00 0.00 H new ATOM 0 HA SER A 30 19.758 -8.010 8.728 1.00 0.00 H new ATOM 0 HB2 SER A 30 17.994 -6.279 9.198 1.00 0.00 H new ATOM 0 HB3 SER A 30 16.865 -7.167 8.193 1.00 0.00 H new ATOM 0 HG SER A 30 16.610 -7.659 10.445 1.00 0.00 H new ATOM 474 N LEU A 31 17.896 -9.292 6.316 1.00 0.00 N ATOM 475 CA LEU A 31 17.480 -10.531 5.619 1.00 0.00 C ATOM 476 C LEU A 31 18.647 -11.183 4.835 1.00 0.00 C ATOM 477 O LEU A 31 18.731 -12.415 4.736 1.00 0.00 O ATOM 478 CB LEU A 31 16.308 -10.209 4.663 1.00 0.00 C ATOM 479 CG LEU A 31 15.011 -9.653 5.325 1.00 0.00 C ATOM 480 CD1 LEU A 31 13.978 -9.218 4.259 1.00 0.00 C ATOM 481 CD2 LEU A 31 14.406 -10.674 6.321 1.00 0.00 C ATOM 0 H LEU A 31 17.640 -8.441 5.814 1.00 0.00 H new ATOM 0 HA LEU A 31 17.162 -11.251 6.373 1.00 0.00 H new ATOM 0 HB2 LEU A 31 16.655 -9.483 3.928 1.00 0.00 H new ATOM 0 HB3 LEU A 31 16.052 -11.117 4.118 1.00 0.00 H new ATOM 0 HG LEU A 31 15.285 -8.765 5.895 1.00 0.00 H new ATOM 0 HD11 LEU A 31 13.085 -8.835 4.753 1.00 0.00 H new ATOM 0 HD12 LEU A 31 14.409 -8.437 3.632 1.00 0.00 H new ATOM 0 HD13 LEU A 31 13.711 -10.075 3.640 1.00 0.00 H new ATOM 0 HD21 LEU A 31 13.503 -10.257 6.766 1.00 0.00 H new ATOM 0 HD22 LEU A 31 14.158 -11.595 5.793 1.00 0.00 H new ATOM 0 HD23 LEU A 31 15.131 -10.890 7.106 1.00 0.00 H new ATOM 493 N GLU A 32 19.532 -10.337 4.276 1.00 0.00 N ATOM 494 CA GLU A 32 20.725 -10.775 3.509 1.00 0.00 C ATOM 495 C GLU A 32 21.816 -11.284 4.469 1.00 0.00 C ATOM 496 O GLU A 32 22.528 -12.243 4.168 1.00 0.00 O ATOM 497 CB GLU A 32 21.315 -9.590 2.689 1.00 0.00 C ATOM 498 CG GLU A 32 20.357 -8.913 1.685 1.00 0.00 C ATOM 499 CD GLU A 32 20.254 -9.609 0.328 1.00 0.00 C ATOM 500 OE1 GLU A 32 19.421 -10.528 0.172 1.00 0.00 O ATOM 501 OE2 GLU A 32 21.002 -9.223 -0.597 1.00 0.00 O ATOM 0 H GLU A 32 19.444 -9.323 4.341 1.00 0.00 H new ATOM 0 HA GLU A 32 20.413 -11.572 2.835 1.00 0.00 H new ATOM 0 HB2 GLU A 32 21.670 -8.833 3.388 1.00 0.00 H new ATOM 0 HB3 GLU A 32 22.185 -9.952 2.142 1.00 0.00 H new ATOM 0 HG2 GLU A 32 19.363 -8.865 2.129 1.00 0.00 H new ATOM 0 HG3 GLU A 32 20.686 -7.886 1.527 1.00 0.00 H new ATOM 508 N GLY A 33 21.907 -10.620 5.636 1.00 0.00 N ATOM 509 CA GLY A 33 22.991 -10.836 6.599 1.00 0.00 C ATOM 510 C GLY A 33 24.253 -10.040 6.249 1.00 0.00 C ATOM 511 O GLY A 33 25.369 -10.526 6.450 1.00 0.00 O ATOM 0 H GLY A 33 21.228 -9.919 5.934 1.00 0.00 H new ATOM 0 HA2 GLY A 33 22.650 -10.552 7.595 1.00 0.00 H new ATOM 0 HA3 GLY A 33 23.234 -11.898 6.636 1.00 0.00 H new ATOM 515 N ILE A 34 24.069 -8.804 5.719 1.00 0.00 N ATOM 516 CA ILE A 34 25.182 -7.925 5.248 1.00 0.00 C ATOM 517 C ILE A 34 25.095 -6.516 5.901 1.00 0.00 C ATOM 518 O ILE A 34 24.198 -6.262 6.707 1.00 0.00 O ATOM 519 CB ILE A 34 25.191 -7.796 3.672 1.00 0.00 C ATOM 520 CG1 ILE A 34 23.913 -7.054 3.147 1.00 0.00 C ATOM 521 CG2 ILE A 34 25.352 -9.185 2.995 1.00 0.00 C ATOM 522 CD1 ILE A 34 23.843 -6.900 1.628 1.00 0.00 C ATOM 0 H ILE A 34 23.147 -8.384 5.604 1.00 0.00 H new ATOM 0 HA ILE A 34 26.116 -8.394 5.556 1.00 0.00 H new ATOM 0 HB ILE A 34 26.055 -7.190 3.399 1.00 0.00 H new ATOM 0 HG12 ILE A 34 23.030 -7.597 3.485 1.00 0.00 H new ATOM 0 HG13 ILE A 34 23.872 -6.064 3.601 1.00 0.00 H new ATOM 0 HG21 ILE A 34 25.355 -9.064 1.912 1.00 0.00 H new ATOM 0 HG22 ILE A 34 26.292 -9.637 3.312 1.00 0.00 H new ATOM 0 HG23 ILE A 34 24.523 -9.830 3.286 1.00 0.00 H new ATOM 0 HD11 ILE A 34 22.926 -6.376 1.357 1.00 0.00 H new ATOM 0 HD12 ILE A 34 24.704 -6.329 1.280 1.00 0.00 H new ATOM 0 HD13 ILE A 34 23.849 -7.885 1.162 1.00 0.00 H new ATOM 534 N ALA A 35 26.049 -5.626 5.542 1.00 0.00 N ATOM 535 CA ALA A 35 26.166 -4.262 6.113 1.00 0.00 C ATOM 536 C ALA A 35 25.111 -3.277 5.512 1.00 0.00 C ATOM 537 O ALA A 35 25.185 -2.951 4.317 1.00 0.00 O ATOM 538 CB ALA A 35 27.600 -3.734 5.891 1.00 0.00 C ATOM 0 H ALA A 35 26.763 -5.834 4.844 1.00 0.00 H new ATOM 0 HA ALA A 35 25.961 -4.323 7.182 1.00 0.00 H new ATOM 0 HB1 ALA A 35 27.688 -2.732 6.310 1.00 0.00 H new ATOM 0 HB2 ALA A 35 28.312 -4.397 6.383 1.00 0.00 H new ATOM 0 HB3 ALA A 35 27.814 -3.701 4.823 1.00 0.00 H new ATOM 544 N PRO A 36 24.127 -2.765 6.343 1.00 0.00 N ATOM 545 CA PRO A 36 23.039 -1.857 5.871 1.00 0.00 C ATOM 546 C PRO A 36 23.544 -0.518 5.298 1.00 0.00 C ATOM 547 O PRO A 36 22.932 0.032 4.371 1.00 0.00 O ATOM 548 CB PRO A 36 22.172 -1.639 7.144 1.00 0.00 C ATOM 549 CG PRO A 36 23.096 -1.927 8.288 1.00 0.00 C ATOM 550 CD PRO A 36 23.986 -3.045 7.801 1.00 0.00 C ATOM 0 HA PRO A 36 22.493 -2.296 5.036 1.00 0.00 H new ATOM 0 HB2 PRO A 36 21.788 -0.620 7.192 1.00 0.00 H new ATOM 0 HB3 PRO A 36 21.309 -2.305 7.154 1.00 0.00 H new ATOM 0 HG2 PRO A 36 23.680 -1.046 8.555 1.00 0.00 H new ATOM 0 HG3 PRO A 36 22.541 -2.224 9.178 1.00 0.00 H new ATOM 0 HD2 PRO A 36 24.952 -3.039 8.306 1.00 0.00 H new ATOM 0 HD3 PRO A 36 23.538 -4.022 7.981 1.00 0.00 H new ATOM 558 N GLU A 37 24.656 -0.006 5.853 1.00 0.00 N ATOM 559 CA GLU A 37 25.261 1.255 5.387 1.00 0.00 C ATOM 560 C GLU A 37 25.874 1.079 3.989 1.00 0.00 C ATOM 561 O GLU A 37 25.738 1.969 3.137 1.00 0.00 O ATOM 562 CB GLU A 37 26.335 1.801 6.379 1.00 0.00 C ATOM 563 CG GLU A 37 27.485 0.829 6.745 1.00 0.00 C ATOM 564 CD GLU A 37 27.190 -0.021 7.990 1.00 0.00 C ATOM 565 OE1 GLU A 37 27.435 0.458 9.115 1.00 0.00 O ATOM 566 OE2 GLU A 37 26.707 -1.157 7.855 1.00 0.00 O ATOM 0 H GLU A 37 25.155 -0.446 6.626 1.00 0.00 H new ATOM 0 HA GLU A 37 24.458 1.991 5.337 1.00 0.00 H new ATOM 0 HB2 GLU A 37 26.772 2.702 5.949 1.00 0.00 H new ATOM 0 HB3 GLU A 37 25.832 2.098 7.299 1.00 0.00 H new ATOM 0 HG2 GLU A 37 27.676 0.168 5.899 1.00 0.00 H new ATOM 0 HG3 GLU A 37 28.396 1.403 6.913 1.00 0.00 H new ATOM 573 N ASP A 38 26.481 -0.111 3.748 1.00 0.00 N ATOM 574 CA ASP A 38 27.294 -0.373 2.542 1.00 0.00 C ATOM 575 C ASP A 38 26.438 -0.318 1.279 1.00 0.00 C ATOM 576 O ASP A 38 26.817 0.296 0.277 1.00 0.00 O ATOM 577 CB ASP A 38 27.996 -1.751 2.643 1.00 0.00 C ATOM 578 CG ASP A 38 28.819 -2.130 1.388 1.00 0.00 C ATOM 579 OD1 ASP A 38 29.683 -1.335 0.969 1.00 0.00 O ATOM 580 OD2 ASP A 38 28.587 -3.214 0.805 1.00 0.00 O ATOM 0 H ASP A 38 26.419 -0.908 4.382 1.00 0.00 H new ATOM 0 HA ASP A 38 28.053 0.407 2.480 1.00 0.00 H new ATOM 0 HB2 ASP A 38 28.656 -1.749 3.511 1.00 0.00 H new ATOM 0 HB3 ASP A 38 27.243 -2.519 2.817 1.00 0.00 H new ATOM 585 N GLN A 39 25.266 -0.951 1.360 1.00 0.00 N ATOM 586 CA GLN A 39 24.338 -1.036 0.237 1.00 0.00 C ATOM 587 C GLN A 39 23.605 0.296 0.028 1.00 0.00 C ATOM 588 O GLN A 39 23.432 1.089 0.963 1.00 0.00 O ATOM 589 CB GLN A 39 23.335 -2.191 0.450 1.00 0.00 C ATOM 590 CG GLN A 39 22.455 -2.083 1.708 1.00 0.00 C ATOM 591 CD GLN A 39 21.494 -3.261 1.845 1.00 0.00 C ATOM 592 OE1 GLN A 39 20.364 -3.225 1.363 1.00 0.00 O ATOM 593 NE2 GLN A 39 21.947 -4.325 2.473 1.00 0.00 N ATOM 0 H GLN A 39 24.936 -1.417 2.205 1.00 0.00 H new ATOM 0 HA GLN A 39 24.913 -1.245 -0.665 1.00 0.00 H new ATOM 0 HB2 GLN A 39 22.685 -2.249 -0.423 1.00 0.00 H new ATOM 0 HB3 GLN A 39 23.891 -3.127 0.496 1.00 0.00 H new ATOM 0 HG2 GLN A 39 23.092 -2.032 2.591 1.00 0.00 H new ATOM 0 HG3 GLN A 39 21.885 -1.154 1.672 1.00 0.00 H new ATOM 0 HE21 GLN A 39 22.890 -4.325 2.862 1.00 0.00 H new ATOM 0 HE22 GLN A 39 21.355 -5.150 2.570 1.00 0.00 H new ATOM 602 N VAL A 40 23.236 0.540 -1.231 1.00 0.00 N ATOM 603 CA VAL A 40 22.453 1.696 -1.666 1.00 0.00 C ATOM 604 C VAL A 40 21.322 1.193 -2.573 1.00 0.00 C ATOM 605 O VAL A 40 21.504 0.218 -3.321 1.00 0.00 O ATOM 606 CB VAL A 40 23.343 2.764 -2.424 1.00 0.00 C ATOM 607 CG1 VAL A 40 24.487 3.280 -1.528 1.00 0.00 C ATOM 608 CG2 VAL A 40 23.896 2.225 -3.775 1.00 0.00 C ATOM 0 H VAL A 40 23.483 -0.083 -2.000 1.00 0.00 H new ATOM 0 HA VAL A 40 22.044 2.199 -0.790 1.00 0.00 H new ATOM 0 HB VAL A 40 22.688 3.603 -2.658 1.00 0.00 H new ATOM 0 HG11 VAL A 40 25.079 4.011 -2.079 1.00 0.00 H new ATOM 0 HG12 VAL A 40 24.068 3.748 -0.637 1.00 0.00 H new ATOM 0 HG13 VAL A 40 25.124 2.445 -1.234 1.00 0.00 H new ATOM 0 HG21 VAL A 40 24.499 2.996 -4.255 1.00 0.00 H new ATOM 0 HG22 VAL A 40 24.512 1.345 -3.591 1.00 0.00 H new ATOM 0 HG23 VAL A 40 23.065 1.957 -4.427 1.00 0.00 H new ATOM 618 N VAL A 41 20.152 1.832 -2.487 1.00 0.00 N ATOM 619 CA VAL A 41 18.986 1.474 -3.303 1.00 0.00 C ATOM 620 C VAL A 41 18.996 2.285 -4.616 1.00 0.00 C ATOM 621 O VAL A 41 19.219 3.499 -4.611 1.00 0.00 O ATOM 622 CB VAL A 41 17.646 1.680 -2.509 1.00 0.00 C ATOM 623 CG1 VAL A 41 16.412 1.372 -3.378 1.00 0.00 C ATOM 624 CG2 VAL A 41 17.633 0.824 -1.218 1.00 0.00 C ATOM 0 H VAL A 41 19.985 2.612 -1.851 1.00 0.00 H new ATOM 0 HA VAL A 41 19.047 0.414 -3.551 1.00 0.00 H new ATOM 0 HB VAL A 41 17.594 2.732 -2.228 1.00 0.00 H new ATOM 0 HG11 VAL A 41 15.506 1.527 -2.792 1.00 0.00 H new ATOM 0 HG12 VAL A 41 16.402 2.035 -4.243 1.00 0.00 H new ATOM 0 HG13 VAL A 41 16.454 0.336 -3.715 1.00 0.00 H new ATOM 0 HG21 VAL A 41 16.696 0.983 -0.685 1.00 0.00 H new ATOM 0 HG22 VAL A 41 17.727 -0.230 -1.479 1.00 0.00 H new ATOM 0 HG23 VAL A 41 18.467 1.116 -0.580 1.00 0.00 H new ATOM 634 N LEU A 42 18.763 1.575 -5.730 1.00 0.00 N ATOM 635 CA LEU A 42 18.799 2.117 -7.095 1.00 0.00 C ATOM 636 C LEU A 42 17.400 1.986 -7.722 1.00 0.00 C ATOM 637 O LEU A 42 16.947 0.869 -7.998 1.00 0.00 O ATOM 638 CB LEU A 42 19.838 1.322 -7.946 1.00 0.00 C ATOM 639 CG LEU A 42 21.291 1.221 -7.377 1.00 0.00 C ATOM 640 CD1 LEU A 42 22.187 0.346 -8.280 1.00 0.00 C ATOM 641 CD2 LEU A 42 21.920 2.613 -7.159 1.00 0.00 C ATOM 0 H LEU A 42 18.538 0.580 -5.705 1.00 0.00 H new ATOM 0 HA LEU A 42 19.091 3.167 -7.069 1.00 0.00 H new ATOM 0 HB2 LEU A 42 19.458 0.310 -8.087 1.00 0.00 H new ATOM 0 HB3 LEU A 42 19.891 1.782 -8.933 1.00 0.00 H new ATOM 0 HG LEU A 42 21.220 0.738 -6.402 1.00 0.00 H new ATOM 0 HD11 LEU A 42 23.190 0.295 -7.857 1.00 0.00 H new ATOM 0 HD12 LEU A 42 21.769 -0.659 -8.343 1.00 0.00 H new ATOM 0 HD13 LEU A 42 22.235 0.783 -9.278 1.00 0.00 H new ATOM 0 HD21 LEU A 42 22.929 2.498 -6.763 1.00 0.00 H new ATOM 0 HD22 LEU A 42 21.961 3.146 -8.109 1.00 0.00 H new ATOM 0 HD23 LEU A 42 21.315 3.179 -6.451 1.00 0.00 H new ATOM 653 N LEU A 43 16.696 3.111 -7.901 1.00 0.00 N ATOM 654 CA LEU A 43 15.390 3.126 -8.577 1.00 0.00 C ATOM 655 C LEU A 43 15.629 3.101 -10.097 1.00 0.00 C ATOM 656 O LEU A 43 15.926 4.137 -10.705 1.00 0.00 O ATOM 657 CB LEU A 43 14.574 4.375 -8.151 1.00 0.00 C ATOM 658 CG LEU A 43 13.131 4.503 -8.739 1.00 0.00 C ATOM 659 CD1 LEU A 43 12.268 3.269 -8.398 1.00 0.00 C ATOM 660 CD2 LEU A 43 12.454 5.818 -8.277 1.00 0.00 C ATOM 0 H LEU A 43 17.011 4.028 -7.585 1.00 0.00 H new ATOM 0 HA LEU A 43 14.808 2.250 -8.292 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.500 4.379 -7.064 1.00 0.00 H new ATOM 0 HB3 LEU A 43 15.138 5.263 -8.435 1.00 0.00 H new ATOM 0 HG LEU A 43 13.219 4.542 -9.825 1.00 0.00 H new ATOM 0 HD11 LEU A 43 11.272 3.393 -8.823 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.731 2.375 -8.815 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.191 3.167 -7.316 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.452 5.880 -8.701 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.389 5.831 -7.189 1.00 0.00 H new ATOM 0 HD23 LEU A 43 13.044 6.670 -8.615 1.00 0.00 H new ATOM 672 N ALA A 44 15.558 1.884 -10.677 1.00 0.00 N ATOM 673 CA ALA A 44 15.827 1.632 -12.110 1.00 0.00 C ATOM 674 C ALA A 44 17.255 2.089 -12.525 1.00 0.00 C ATOM 675 O ALA A 44 17.498 2.406 -13.695 1.00 0.00 O ATOM 676 CB ALA A 44 14.738 2.281 -12.993 1.00 0.00 C ATOM 0 H ALA A 44 15.310 1.041 -10.159 1.00 0.00 H new ATOM 0 HA ALA A 44 15.789 0.554 -12.269 1.00 0.00 H new ATOM 0 HB1 ALA A 44 14.955 2.083 -14.043 1.00 0.00 H new ATOM 0 HB2 ALA A 44 13.765 1.861 -12.738 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.724 3.357 -12.822 1.00 0.00 H new ATOM 682 N GLY A 45 18.198 2.066 -11.554 1.00 0.00 N ATOM 683 CA GLY A 45 19.580 2.525 -11.765 1.00 0.00 C ATOM 684 C GLY A 45 19.900 3.844 -11.061 1.00 0.00 C ATOM 685 O GLY A 45 21.067 4.100 -10.745 1.00 0.00 O ATOM 0 H GLY A 45 18.018 1.729 -10.608 1.00 0.00 H new ATOM 0 HA2 GLY A 45 20.267 1.757 -11.410 1.00 0.00 H new ATOM 0 HA3 GLY A 45 19.756 2.641 -12.834 1.00 0.00 H new ATOM 689 N ALA A 46 18.867 4.672 -10.809 1.00 0.00 N ATOM 690 CA ALA A 46 19.031 6.001 -10.184 1.00 0.00 C ATOM 691 C ALA A 46 19.251 5.861 -8.660 1.00 0.00 C ATOM 692 O ALA A 46 18.336 5.427 -7.957 1.00 0.00 O ATOM 693 CB ALA A 46 17.799 6.877 -10.474 1.00 0.00 C ATOM 0 H ALA A 46 17.899 4.440 -11.032 1.00 0.00 H new ATOM 0 HA ALA A 46 19.910 6.482 -10.612 1.00 0.00 H new ATOM 0 HB1 ALA A 46 17.930 7.854 -10.009 1.00 0.00 H new ATOM 0 HB2 ALA A 46 17.685 7.000 -11.551 1.00 0.00 H new ATOM 0 HB3 ALA A 46 16.908 6.398 -10.067 1.00 0.00 H new ATOM 699 N PRO A 47 20.463 6.218 -8.117 1.00 0.00 N ATOM 700 CA PRO A 47 20.757 6.088 -6.668 1.00 0.00 C ATOM 701 C PRO A 47 19.862 7.016 -5.824 1.00 0.00 C ATOM 702 O PRO A 47 19.928 8.240 -5.966 1.00 0.00 O ATOM 703 CB PRO A 47 22.263 6.476 -6.552 1.00 0.00 C ATOM 704 CG PRO A 47 22.793 6.407 -7.958 1.00 0.00 C ATOM 705 CD PRO A 47 21.629 6.780 -8.847 1.00 0.00 C ATOM 0 HA PRO A 47 20.557 5.085 -6.290 1.00 0.00 H new ATOM 0 HB2 PRO A 47 22.382 7.476 -6.134 1.00 0.00 H new ATOM 0 HB3 PRO A 47 22.798 5.790 -5.895 1.00 0.00 H new ATOM 0 HG2 PRO A 47 23.628 7.093 -8.097 1.00 0.00 H new ATOM 0 HG3 PRO A 47 23.160 5.407 -8.191 1.00 0.00 H new ATOM 0 HD2 PRO A 47 21.546 7.860 -8.972 1.00 0.00 H new ATOM 0 HD3 PRO A 47 21.727 6.350 -9.844 1.00 0.00 H new ATOM 713 N LEU A 48 18.996 6.414 -4.990 1.00 0.00 N ATOM 714 CA LEU A 48 18.094 7.147 -4.086 1.00 0.00 C ATOM 715 C LEU A 48 18.830 7.618 -2.822 1.00 0.00 C ATOM 716 O LEU A 48 19.879 7.070 -2.451 1.00 0.00 O ATOM 717 CB LEU A 48 16.884 6.253 -3.696 1.00 0.00 C ATOM 718 CG LEU A 48 15.942 5.826 -4.862 1.00 0.00 C ATOM 719 CD1 LEU A 48 14.800 4.917 -4.346 1.00 0.00 C ATOM 720 CD2 LEU A 48 15.389 7.063 -5.617 1.00 0.00 C ATOM 0 H LEU A 48 18.902 5.400 -4.924 1.00 0.00 H new ATOM 0 HA LEU A 48 17.734 8.029 -4.615 1.00 0.00 H new ATOM 0 HB2 LEU A 48 17.264 5.352 -3.215 1.00 0.00 H new ATOM 0 HB3 LEU A 48 16.290 6.785 -2.953 1.00 0.00 H new ATOM 0 HG LEU A 48 16.529 5.246 -5.574 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.157 4.633 -5.179 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.225 4.021 -3.893 1.00 0.00 H new ATOM 0 HD13 LEU A 48 14.214 5.456 -3.602 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.735 6.734 -6.425 1.00 0.00 H new ATOM 0 HD22 LEU A 48 14.825 7.689 -4.926 1.00 0.00 H new ATOM 0 HD23 LEU A 48 16.218 7.637 -6.032 1.00 0.00 H new ATOM 732 N GLU A 49 18.264 8.644 -2.177 1.00 0.00 N ATOM 733 CA GLU A 49 18.769 9.174 -0.908 1.00 0.00 C ATOM 734 C GLU A 49 18.155 8.361 0.236 1.00 0.00 C ATOM 735 O GLU A 49 16.933 8.178 0.268 1.00 0.00 O ATOM 736 CB GLU A 49 18.402 10.673 -0.789 1.00 0.00 C ATOM 737 CG GLU A 49 18.794 11.506 -2.027 1.00 0.00 C ATOM 738 CD GLU A 49 18.350 12.971 -1.946 1.00 0.00 C ATOM 739 OE1 GLU A 49 17.127 13.231 -2.007 1.00 0.00 O ATOM 740 OE2 GLU A 49 19.220 13.863 -1.844 1.00 0.00 O ATOM 0 H GLU A 49 17.438 9.132 -2.524 1.00 0.00 H new ATOM 0 HA GLU A 49 19.855 9.090 -0.861 1.00 0.00 H new ATOM 0 HB2 GLU A 49 17.328 10.763 -0.626 1.00 0.00 H new ATOM 0 HB3 GLU A 49 18.894 11.090 0.090 1.00 0.00 H new ATOM 0 HG2 GLU A 49 19.876 11.469 -2.152 1.00 0.00 H new ATOM 0 HG3 GLU A 49 18.355 11.051 -2.915 1.00 0.00 H new ATOM 747 N ASP A 50 18.997 7.859 1.152 1.00 0.00 N ATOM 748 CA ASP A 50 18.545 7.004 2.267 1.00 0.00 C ATOM 749 C ASP A 50 17.575 7.775 3.197 1.00 0.00 C ATOM 750 O ASP A 50 16.581 7.227 3.672 1.00 0.00 O ATOM 751 CB ASP A 50 19.764 6.453 3.061 1.00 0.00 C ATOM 752 CG ASP A 50 20.476 7.519 3.914 1.00 0.00 C ATOM 753 OD1 ASP A 50 21.075 8.452 3.332 1.00 0.00 O ATOM 754 OD2 ASP A 50 20.409 7.447 5.157 1.00 0.00 O ATOM 0 H ASP A 50 20.002 8.031 1.144 1.00 0.00 H new ATOM 0 HA ASP A 50 18.001 6.156 1.850 1.00 0.00 H new ATOM 0 HB2 ASP A 50 19.429 5.644 3.710 1.00 0.00 H new ATOM 0 HB3 ASP A 50 20.479 6.023 2.360 1.00 0.00 H new ATOM 759 N GLU A 51 17.854 9.074 3.382 1.00 0.00 N ATOM 760 CA GLU A 51 17.069 9.964 4.259 1.00 0.00 C ATOM 761 C GLU A 51 15.761 10.432 3.581 1.00 0.00 C ATOM 762 O GLU A 51 14.913 11.061 4.228 1.00 0.00 O ATOM 763 CB GLU A 51 17.947 11.175 4.670 1.00 0.00 C ATOM 764 CG GLU A 51 18.544 11.962 3.484 1.00 0.00 C ATOM 765 CD GLU A 51 19.359 13.183 3.934 1.00 0.00 C ATOM 766 OE1 GLU A 51 20.578 13.041 4.176 1.00 0.00 O ATOM 767 OE2 GLU A 51 18.786 14.289 4.046 1.00 0.00 O ATOM 0 H GLU A 51 18.636 9.543 2.925 1.00 0.00 H new ATOM 0 HA GLU A 51 16.777 9.407 5.149 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.347 11.854 5.276 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.762 10.820 5.301 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.182 11.300 2.898 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.738 12.290 2.828 1.00 0.00 H new ATOM 774 N ALA A 52 15.628 10.139 2.268 1.00 0.00 N ATOM 775 CA ALA A 52 14.409 10.426 1.494 1.00 0.00 C ATOM 776 C ALA A 52 13.429 9.251 1.605 1.00 0.00 C ATOM 777 O ALA A 52 13.847 8.099 1.738 1.00 0.00 O ATOM 778 CB ALA A 52 14.748 10.712 0.017 1.00 0.00 C ATOM 0 H ALA A 52 16.365 9.697 1.719 1.00 0.00 H new ATOM 0 HA ALA A 52 13.939 11.318 1.908 1.00 0.00 H new ATOM 0 HB1 ALA A 52 13.830 10.921 -0.533 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.412 11.574 -0.044 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.242 9.843 -0.418 1.00 0.00 H new ATOM 784 N THR A 53 12.127 9.557 1.562 1.00 0.00 N ATOM 785 CA THR A 53 11.057 8.551 1.592 1.00 0.00 C ATOM 786 C THR A 53 10.653 8.149 0.167 1.00 0.00 C ATOM 787 O THR A 53 11.008 8.835 -0.802 1.00 0.00 O ATOM 788 CB THR A 53 9.822 9.109 2.370 1.00 0.00 C ATOM 789 OG1 THR A 53 9.381 10.346 1.784 1.00 0.00 O ATOM 790 CG2 THR A 53 10.147 9.326 3.862 1.00 0.00 C ATOM 0 H THR A 53 11.783 10.516 1.505 1.00 0.00 H new ATOM 0 HA THR A 53 11.427 7.663 2.105 1.00 0.00 H new ATOM 0 HB THR A 53 9.024 8.370 2.299 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.606 10.685 2.279 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.266 9.715 4.373 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.439 8.377 4.312 1.00 0.00 H new ATOM 0 HG23 THR A 53 10.966 10.040 3.956 1.00 0.00 H new ATOM 798 N LEU A 54 9.894 7.041 0.055 1.00 0.00 N ATOM 799 CA LEU A 54 9.331 6.559 -1.226 1.00 0.00 C ATOM 800 C LEU A 54 8.298 7.582 -1.774 1.00 0.00 C ATOM 801 O LEU A 54 8.108 7.711 -2.995 1.00 0.00 O ATOM 802 CB LEU A 54 8.669 5.147 -1.047 1.00 0.00 C ATOM 803 CG LEU A 54 9.621 3.908 -0.847 1.00 0.00 C ATOM 804 CD1 LEU A 54 10.704 3.836 -1.945 1.00 0.00 C ATOM 805 CD2 LEU A 54 10.243 3.876 0.564 1.00 0.00 C ATOM 0 H LEU A 54 9.652 6.452 0.852 1.00 0.00 H new ATOM 0 HA LEU A 54 10.143 6.462 -1.947 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.000 5.197 -0.188 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.049 4.955 -1.923 1.00 0.00 H new ATOM 0 HG LEU A 54 9.001 3.017 -0.942 1.00 0.00 H new ATOM 0 HD11 LEU A 54 11.340 2.968 -1.772 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.227 3.748 -2.921 1.00 0.00 H new ATOM 0 HD13 LEU A 54 11.310 4.742 -1.918 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.892 3.005 0.656 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.827 4.782 0.725 1.00 0.00 H new ATOM 0 HD23 LEU A 54 9.450 3.818 1.310 1.00 0.00 H new ATOM 817 N GLY A 55 7.665 8.318 -0.835 1.00 0.00 N ATOM 818 CA GLY A 55 6.696 9.364 -1.154 1.00 0.00 C ATOM 819 C GLY A 55 7.365 10.630 -1.676 1.00 0.00 C ATOM 820 O GLY A 55 6.839 11.285 -2.582 1.00 0.00 O ATOM 0 H GLY A 55 7.819 8.195 0.166 1.00 0.00 H new ATOM 0 HA2 GLY A 55 5.995 8.992 -1.901 1.00 0.00 H new ATOM 0 HA3 GLY A 55 6.116 9.603 -0.263 1.00 0.00 H new ATOM 824 N GLN A 56 8.545 10.963 -1.107 1.00 0.00 N ATOM 825 CA GLN A 56 9.375 12.096 -1.575 1.00 0.00 C ATOM 826 C GLN A 56 9.941 11.793 -2.980 1.00 0.00 C ATOM 827 O GLN A 56 9.945 12.664 -3.856 1.00 0.00 O ATOM 828 CB GLN A 56 10.536 12.390 -0.585 1.00 0.00 C ATOM 829 CG GLN A 56 11.382 13.632 -0.957 1.00 0.00 C ATOM 830 CD GLN A 56 12.646 13.814 -0.116 1.00 0.00 C ATOM 831 OE1 GLN A 56 12.706 13.424 1.043 1.00 0.00 O ATOM 832 NE2 GLN A 56 13.669 14.416 -0.703 1.00 0.00 N ATOM 0 H GLN A 56 8.947 10.459 -0.317 1.00 0.00 H new ATOM 0 HA GLN A 56 8.741 12.981 -1.625 1.00 0.00 H new ATOM 0 HB2 GLN A 56 10.122 12.531 0.413 1.00 0.00 H new ATOM 0 HB3 GLN A 56 11.189 11.519 -0.538 1.00 0.00 H new ATOM 0 HG2 GLN A 56 11.667 13.561 -2.007 1.00 0.00 H new ATOM 0 HG3 GLN A 56 10.762 14.522 -0.855 1.00 0.00 H new ATOM 0 HE21 GLN A 56 13.589 14.730 -1.670 1.00 0.00 H new ATOM 0 HE22 GLN A 56 14.537 14.566 -0.188 1.00 0.00 H new ATOM 841 N CYS A 57 10.395 10.535 -3.184 1.00 0.00 N ATOM 842 CA CYS A 57 10.849 10.043 -4.503 1.00 0.00 C ATOM 843 C CYS A 57 9.682 10.046 -5.522 1.00 0.00 C ATOM 844 O CYS A 57 9.903 10.139 -6.736 1.00 0.00 O ATOM 845 CB CYS A 57 11.440 8.620 -4.367 1.00 0.00 C ATOM 846 SG CYS A 57 12.869 8.514 -3.262 1.00 0.00 S ATOM 0 H CYS A 57 10.456 9.837 -2.443 1.00 0.00 H new ATOM 0 HA CYS A 57 11.625 10.713 -4.872 1.00 0.00 H new ATOM 0 HB2 CYS A 57 10.662 7.949 -4.003 1.00 0.00 H new ATOM 0 HB3 CYS A 57 11.731 8.264 -5.355 1.00 0.00 H new ATOM 0 HG CYS A 57 12.472 8.618 -2.028 1.00 0.00 H new ATOM 852 N GLY A 58 8.443 9.942 -4.995 1.00 0.00 N ATOM 853 CA GLY A 58 7.226 9.981 -5.806 1.00 0.00 C ATOM 854 C GLY A 58 7.005 8.700 -6.592 1.00 0.00 C ATOM 855 O GLY A 58 6.351 8.716 -7.636 1.00 0.00 O ATOM 0 H GLY A 58 8.268 9.829 -3.997 1.00 0.00 H new ATOM 0 HA2 GLY A 58 6.368 10.158 -5.158 1.00 0.00 H new ATOM 0 HA3 GLY A 58 7.282 10.822 -6.497 1.00 0.00 H new ATOM 859 N VAL A 59 7.555 7.585 -6.082 1.00 0.00 N ATOM 860 CA VAL A 59 7.422 6.261 -6.721 1.00 0.00 C ATOM 861 C VAL A 59 6.057 5.633 -6.347 1.00 0.00 C ATOM 862 O VAL A 59 5.411 6.069 -5.385 1.00 0.00 O ATOM 863 CB VAL A 59 8.623 5.315 -6.326 1.00 0.00 C ATOM 864 CG1 VAL A 59 8.567 4.904 -4.843 1.00 0.00 C ATOM 865 CG2 VAL A 59 8.724 4.080 -7.256 1.00 0.00 C ATOM 0 H VAL A 59 8.101 7.574 -5.221 1.00 0.00 H new ATOM 0 HA VAL A 59 7.458 6.387 -7.803 1.00 0.00 H new ATOM 0 HB VAL A 59 9.535 5.895 -6.466 1.00 0.00 H new ATOM 0 HG11 VAL A 59 9.411 4.254 -4.614 1.00 0.00 H new ATOM 0 HG12 VAL A 59 8.614 5.795 -4.217 1.00 0.00 H new ATOM 0 HG13 VAL A 59 7.636 4.372 -4.648 1.00 0.00 H new ATOM 0 HG21 VAL A 59 9.564 3.459 -6.946 1.00 0.00 H new ATOM 0 HG22 VAL A 59 7.802 3.501 -7.194 1.00 0.00 H new ATOM 0 HG23 VAL A 59 8.877 4.410 -8.284 1.00 0.00 H new ATOM 875 N GLU A 60 5.607 4.642 -7.134 1.00 0.00 N ATOM 876 CA GLU A 60 4.309 3.965 -6.928 1.00 0.00 C ATOM 877 C GLU A 60 4.522 2.508 -6.461 1.00 0.00 C ATOM 878 O GLU A 60 5.660 2.063 -6.250 1.00 0.00 O ATOM 879 CB GLU A 60 3.485 4.013 -8.243 1.00 0.00 C ATOM 880 CG GLU A 60 3.231 5.432 -8.788 1.00 0.00 C ATOM 881 CD GLU A 60 2.312 5.450 -10.019 1.00 0.00 C ATOM 882 OE1 GLU A 60 2.804 5.245 -11.150 1.00 0.00 O ATOM 883 OE2 GLU A 60 1.092 5.664 -9.861 1.00 0.00 O ATOM 0 H GLU A 60 6.131 4.285 -7.933 1.00 0.00 H new ATOM 0 HA GLU A 60 3.755 4.484 -6.146 1.00 0.00 H new ATOM 0 HB2 GLU A 60 4.006 3.433 -9.005 1.00 0.00 H new ATOM 0 HB3 GLU A 60 2.525 3.526 -8.073 1.00 0.00 H new ATOM 0 HG2 GLU A 60 2.787 6.042 -8.002 1.00 0.00 H new ATOM 0 HG3 GLU A 60 4.185 5.891 -9.048 1.00 0.00 H new ATOM 890 N ALA A 61 3.408 1.768 -6.298 1.00 0.00 N ATOM 891 CA ALA A 61 3.431 0.343 -5.919 1.00 0.00 C ATOM 892 C ALA A 61 3.808 -0.545 -7.125 1.00 0.00 C ATOM 893 O ALA A 61 3.822 -0.077 -8.267 1.00 0.00 O ATOM 894 CB ALA A 61 2.066 -0.063 -5.338 1.00 0.00 C ATOM 0 H ALA A 61 2.468 2.142 -6.425 1.00 0.00 H new ATOM 0 HA ALA A 61 4.194 0.196 -5.155 1.00 0.00 H new ATOM 0 HB1 ALA A 61 2.088 -1.117 -5.060 1.00 0.00 H new ATOM 0 HB2 ALA A 61 1.852 0.541 -4.456 1.00 0.00 H new ATOM 0 HB3 ALA A 61 1.290 0.098 -6.086 1.00 0.00 H new ATOM 900 N LEU A 62 4.138 -1.817 -6.829 1.00 0.00 N ATOM 901 CA LEU A 62 4.514 -2.857 -7.829 1.00 0.00 C ATOM 902 C LEU A 62 5.873 -2.566 -8.522 1.00 0.00 C ATOM 903 O LEU A 62 6.271 -3.296 -9.434 1.00 0.00 O ATOM 904 CB LEU A 62 3.391 -3.121 -8.899 1.00 0.00 C ATOM 905 CG LEU A 62 2.078 -3.841 -8.414 1.00 0.00 C ATOM 906 CD1 LEU A 62 2.399 -5.127 -7.622 1.00 0.00 C ATOM 907 CD2 LEU A 62 1.144 -2.899 -7.619 1.00 0.00 C ATOM 0 H LEU A 62 4.154 -2.166 -5.871 1.00 0.00 H new ATOM 0 HA LEU A 62 4.630 -3.772 -7.248 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.108 -2.162 -9.333 1.00 0.00 H new ATOM 0 HB3 LEU A 62 3.825 -3.718 -9.701 1.00 0.00 H new ATOM 0 HG LEU A 62 1.531 -4.133 -9.311 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.470 -5.599 -7.302 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.956 -5.816 -8.257 1.00 0.00 H new ATOM 0 HD13 LEU A 62 2.998 -4.875 -6.747 1.00 0.00 H new ATOM 0 HD21 LEU A 62 0.254 -3.446 -7.309 1.00 0.00 H new ATOM 0 HD22 LEU A 62 1.667 -2.527 -6.738 1.00 0.00 H new ATOM 0 HD23 LEU A 62 0.852 -2.059 -8.249 1.00 0.00 H new ATOM 919 N THR A 63 6.590 -1.529 -8.068 1.00 0.00 N ATOM 920 CA THR A 63 7.910 -1.169 -8.603 1.00 0.00 C ATOM 921 C THR A 63 8.992 -2.091 -7.990 1.00 0.00 C ATOM 922 O THR A 63 8.826 -2.566 -6.875 1.00 0.00 O ATOM 923 CB THR A 63 8.219 0.336 -8.286 1.00 0.00 C ATOM 924 OG1 THR A 63 7.121 1.150 -8.737 1.00 0.00 O ATOM 925 CG2 THR A 63 9.518 0.829 -8.958 1.00 0.00 C ATOM 0 H THR A 63 6.271 -0.915 -7.318 1.00 0.00 H new ATOM 0 HA THR A 63 7.913 -1.302 -9.685 1.00 0.00 H new ATOM 0 HB THR A 63 8.353 0.420 -7.208 1.00 0.00 H new ATOM 0 HG1 THR A 63 6.612 1.471 -7.963 1.00 0.00 H new ATOM 0 HG21 THR A 63 9.684 1.876 -8.705 1.00 0.00 H new ATOM 0 HG22 THR A 63 10.359 0.233 -8.604 1.00 0.00 H new ATOM 0 HG23 THR A 63 9.430 0.726 -10.040 1.00 0.00 H new ATOM 933 N THR A 64 10.082 -2.344 -8.725 1.00 0.00 N ATOM 934 CA THR A 64 11.215 -3.145 -8.237 1.00 0.00 C ATOM 935 C THR A 64 12.469 -2.262 -8.190 1.00 0.00 C ATOM 936 O THR A 64 12.964 -1.801 -9.222 1.00 0.00 O ATOM 937 CB THR A 64 11.462 -4.409 -9.121 1.00 0.00 C ATOM 938 OG1 THR A 64 10.230 -5.133 -9.248 1.00 0.00 O ATOM 939 CG2 THR A 64 12.545 -5.339 -8.520 1.00 0.00 C ATOM 0 H THR A 64 10.205 -1.999 -9.677 1.00 0.00 H new ATOM 0 HA THR A 64 10.978 -3.504 -7.235 1.00 0.00 H new ATOM 0 HB THR A 64 11.820 -4.076 -10.095 1.00 0.00 H new ATOM 0 HG1 THR A 64 10.373 -5.928 -9.803 1.00 0.00 H new ATOM 0 HG21 THR A 64 12.683 -6.204 -9.169 1.00 0.00 H new ATOM 0 HG22 THR A 64 13.486 -4.795 -8.436 1.00 0.00 H new ATOM 0 HG23 THR A 64 12.230 -5.673 -7.532 1.00 0.00 H new ATOM 947 N LEU A 65 12.924 -1.997 -6.965 1.00 0.00 N ATOM 948 CA LEU A 65 14.126 -1.213 -6.675 1.00 0.00 C ATOM 949 C LEU A 65 15.291 -2.189 -6.455 1.00 0.00 C ATOM 950 O LEU A 65 15.078 -3.279 -5.956 1.00 0.00 O ATOM 951 CB LEU A 65 13.895 -0.334 -5.406 1.00 0.00 C ATOM 952 CG LEU A 65 12.804 0.808 -5.494 1.00 0.00 C ATOM 953 CD1 LEU A 65 11.363 0.268 -5.644 1.00 0.00 C ATOM 954 CD2 LEU A 65 12.897 1.763 -4.282 1.00 0.00 C ATOM 0 H LEU A 65 12.454 -2.331 -6.124 1.00 0.00 H new ATOM 0 HA LEU A 65 14.357 -0.547 -7.506 1.00 0.00 H new ATOM 0 HB2 LEU A 65 13.623 -0.996 -4.584 1.00 0.00 H new ATOM 0 HB3 LEU A 65 14.845 0.129 -5.141 1.00 0.00 H new ATOM 0 HG LEU A 65 13.027 1.364 -6.405 1.00 0.00 H new ATOM 0 HD11 LEU A 65 10.665 1.104 -5.699 1.00 0.00 H new ATOM 0 HD12 LEU A 65 11.290 -0.326 -6.555 1.00 0.00 H new ATOM 0 HD13 LEU A 65 11.117 -0.355 -4.784 1.00 0.00 H new ATOM 0 HD21 LEU A 65 12.135 2.538 -4.370 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.738 1.200 -3.362 1.00 0.00 H new ATOM 0 HD23 LEU A 65 13.884 2.226 -4.258 1.00 0.00 H new ATOM 966 N GLU A 66 16.510 -1.801 -6.835 1.00 0.00 N ATOM 967 CA GLU A 66 17.703 -2.673 -6.736 1.00 0.00 C ATOM 968 C GLU A 66 18.563 -2.290 -5.518 1.00 0.00 C ATOM 969 O GLU A 66 18.464 -1.176 -5.023 1.00 0.00 O ATOM 970 CB GLU A 66 18.518 -2.583 -8.055 1.00 0.00 C ATOM 971 CG GLU A 66 19.722 -3.544 -8.152 1.00 0.00 C ATOM 972 CD GLU A 66 20.390 -3.518 -9.534 1.00 0.00 C ATOM 973 OE1 GLU A 66 19.851 -4.146 -10.470 1.00 0.00 O ATOM 974 OE2 GLU A 66 21.442 -2.862 -9.694 1.00 0.00 O ATOM 0 H GLU A 66 16.707 -0.877 -7.220 1.00 0.00 H new ATOM 0 HA GLU A 66 17.383 -3.705 -6.592 1.00 0.00 H new ATOM 0 HB2 GLU A 66 17.848 -2.781 -8.891 1.00 0.00 H new ATOM 0 HB3 GLU A 66 18.879 -1.561 -8.171 1.00 0.00 H new ATOM 0 HG2 GLU A 66 20.457 -3.277 -7.393 1.00 0.00 H new ATOM 0 HG3 GLU A 66 19.390 -4.559 -7.932 1.00 0.00 H new ATOM 981 N VAL A 67 19.361 -3.246 -5.021 1.00 0.00 N ATOM 982 CA VAL A 67 20.348 -3.031 -3.949 1.00 0.00 C ATOM 983 C VAL A 67 21.758 -3.342 -4.485 1.00 0.00 C ATOM 984 O VAL A 67 21.979 -4.393 -5.107 1.00 0.00 O ATOM 985 CB VAL A 67 19.986 -3.913 -2.683 1.00 0.00 C ATOM 986 CG1 VAL A 67 21.187 -4.150 -1.740 1.00 0.00 C ATOM 987 CG2 VAL A 67 18.796 -3.282 -1.915 1.00 0.00 C ATOM 0 H VAL A 67 19.339 -4.209 -5.358 1.00 0.00 H new ATOM 0 HA VAL A 67 20.328 -1.989 -3.630 1.00 0.00 H new ATOM 0 HB VAL A 67 19.697 -4.896 -3.055 1.00 0.00 H new ATOM 0 HG11 VAL A 67 20.871 -4.760 -0.894 1.00 0.00 H new ATOM 0 HG12 VAL A 67 21.980 -4.665 -2.283 1.00 0.00 H new ATOM 0 HG13 VAL A 67 21.559 -3.192 -1.377 1.00 0.00 H new ATOM 0 HG21 VAL A 67 18.556 -3.896 -1.047 1.00 0.00 H new ATOM 0 HG22 VAL A 67 19.066 -2.279 -1.586 1.00 0.00 H new ATOM 0 HG23 VAL A 67 17.928 -3.227 -2.571 1.00 0.00 H new ATOM 997 N ALA A 68 22.700 -2.413 -4.235 1.00 0.00 N ATOM 998 CA ALA A 68 24.099 -2.510 -4.691 1.00 0.00 C ATOM 999 C ALA A 68 25.048 -2.005 -3.589 1.00 0.00 C ATOM 1000 O ALA A 68 24.871 -0.895 -3.090 1.00 0.00 O ATOM 1001 CB ALA A 68 24.285 -1.687 -5.975 1.00 0.00 C ATOM 0 H ALA A 68 22.508 -1.564 -3.704 1.00 0.00 H new ATOM 0 HA ALA A 68 24.336 -3.553 -4.903 1.00 0.00 H new ATOM 0 HB1 ALA A 68 25.320 -1.762 -6.308 1.00 0.00 H new ATOM 0 HB2 ALA A 68 23.625 -2.072 -6.752 1.00 0.00 H new ATOM 0 HB3 ALA A 68 24.042 -0.643 -5.776 1.00 0.00 H new ATOM 1007 N GLY A 69 26.043 -2.826 -3.213 1.00 0.00 N ATOM 1008 CA GLY A 69 26.996 -2.486 -2.151 1.00 0.00 C ATOM 1009 C GLY A 69 28.035 -1.476 -2.620 1.00 0.00 C ATOM 1010 O GLY A 69 29.031 -1.860 -3.245 1.00 0.00 O ATOM 0 H GLY A 69 26.206 -3.739 -3.637 1.00 0.00 H new ATOM 0 HA2 GLY A 69 26.456 -2.080 -1.295 1.00 0.00 H new ATOM 0 HA3 GLY A 69 27.498 -3.392 -1.811 1.00 0.00 H new ATOM 1014 N ARG A 70 27.788 -0.177 -2.339 1.00 0.00 N ATOM 1015 CA ARG A 70 28.632 0.945 -2.817 1.00 0.00 C ATOM 1016 C ARG A 70 29.210 1.761 -1.636 1.00 0.00 C ATOM 1017 O ARG A 70 30.424 1.730 -1.385 1.00 0.00 O ATOM 1018 CB ARG A 70 27.800 1.868 -3.764 1.00 0.00 C ATOM 1019 CG ARG A 70 27.326 1.190 -5.074 1.00 0.00 C ATOM 1020 CD ARG A 70 28.497 0.770 -5.980 1.00 0.00 C ATOM 1021 NE ARG A 70 28.048 0.135 -7.236 1.00 0.00 N ATOM 1022 CZ ARG A 70 28.669 0.250 -8.429 1.00 0.00 C ATOM 1023 NH1 ARG A 70 29.713 1.058 -8.582 1.00 0.00 N ATOM 1024 NH2 ARG A 70 28.223 -0.432 -9.475 1.00 0.00 N ATOM 0 H ARG A 70 26.995 0.125 -1.773 1.00 0.00 H new ATOM 0 HA ARG A 70 29.473 0.527 -3.371 1.00 0.00 H new ATOM 0 HB2 ARG A 70 26.927 2.230 -3.221 1.00 0.00 H new ATOM 0 HB3 ARG A 70 28.401 2.741 -4.019 1.00 0.00 H new ATOM 0 HG2 ARG A 70 26.728 0.312 -4.829 1.00 0.00 H new ATOM 0 HG3 ARG A 70 26.677 1.875 -5.619 1.00 0.00 H new ATOM 0 HD2 ARG A 70 29.100 1.646 -6.216 1.00 0.00 H new ATOM 0 HD3 ARG A 70 29.140 0.077 -5.437 1.00 0.00 H new ATOM 0 HE ARG A 70 27.203 -0.435 -7.199 1.00 0.00 H new ATOM 0 HH11 ARG A 70 30.056 1.603 -7.791 1.00 0.00 H new ATOM 0 HH12 ARG A 70 30.171 1.133 -9.490 1.00 0.00 H new ATOM 0 HH21 ARG A 70 27.412 -1.042 -9.378 1.00 0.00 H new ATOM 0 HH22 ARG A 70 28.691 -0.346 -10.377 1.00 0.00 H new ATOM 1038 N MET A 71 28.334 2.484 -0.901 1.00 0.00 N ATOM 1039 CA MET A 71 28.767 3.500 0.095 1.00 0.00 C ATOM 1040 C MET A 71 29.000 2.875 1.492 1.00 0.00 C ATOM 1041 O MET A 71 28.143 2.972 2.376 1.00 0.00 O ATOM 1042 CB MET A 71 27.729 4.660 0.177 1.00 0.00 C ATOM 1043 CG MET A 71 27.433 5.331 -1.173 1.00 0.00 C ATOM 1044 SD MET A 71 28.910 5.913 -2.024 1.00 0.00 S ATOM 1045 CE MET A 71 28.221 6.492 -3.571 1.00 0.00 C ATOM 0 H MET A 71 27.322 2.385 -0.977 1.00 0.00 H new ATOM 0 HA MET A 71 29.721 3.905 -0.242 1.00 0.00 H new ATOM 0 HB2 MET A 71 26.798 4.272 0.590 1.00 0.00 H new ATOM 0 HB3 MET A 71 28.097 5.414 0.873 1.00 0.00 H new ATOM 0 HG2 MET A 71 26.909 4.623 -1.815 1.00 0.00 H new ATOM 0 HG3 MET A 71 26.760 6.173 -1.012 1.00 0.00 H new ATOM 0 HE1 MET A 71 29.020 6.881 -4.202 1.00 0.00 H new ATOM 0 HE2 MET A 71 27.726 5.665 -4.081 1.00 0.00 H new ATOM 0 HE3 MET A 71 27.497 7.282 -3.374 1.00 0.00 H new ATOM 1055 N LEU A 72 30.163 2.212 1.667 1.00 0.00 N ATOM 1056 CA LEU A 72 30.573 1.617 2.961 1.00 0.00 C ATOM 1057 C LEU A 72 30.780 2.739 4.006 1.00 0.00 C ATOM 1058 O LEU A 72 31.711 3.550 3.885 1.00 0.00 O ATOM 1059 CB LEU A 72 31.862 0.736 2.768 1.00 0.00 C ATOM 1060 CG LEU A 72 32.318 -0.216 3.953 1.00 0.00 C ATOM 1061 CD1 LEU A 72 33.019 0.538 5.111 1.00 0.00 C ATOM 1062 CD2 LEU A 72 31.135 -1.064 4.475 1.00 0.00 C ATOM 0 H LEU A 72 30.843 2.073 0.920 1.00 0.00 H new ATOM 0 HA LEU A 72 29.788 0.959 3.333 1.00 0.00 H new ATOM 0 HB2 LEU A 72 31.709 0.115 1.885 1.00 0.00 H new ATOM 0 HB3 LEU A 72 32.691 1.408 2.546 1.00 0.00 H new ATOM 0 HG LEU A 72 33.066 -0.887 3.531 1.00 0.00 H new ATOM 0 HD11 LEU A 72 33.305 -0.172 5.887 1.00 0.00 H new ATOM 0 HD12 LEU A 72 33.910 1.039 4.732 1.00 0.00 H new ATOM 0 HD13 LEU A 72 32.336 1.278 5.529 1.00 0.00 H new ATOM 0 HD21 LEU A 72 31.478 -1.706 5.286 1.00 0.00 H new ATOM 0 HD22 LEU A 72 30.349 -0.404 4.842 1.00 0.00 H new ATOM 0 HD23 LEU A 72 30.744 -1.680 3.665 1.00 0.00 H new ATOM 1074 N GLY A 73 29.868 2.802 4.997 1.00 0.00 N ATOM 1075 CA GLY A 73 29.962 3.772 6.092 1.00 0.00 C ATOM 1076 C GLY A 73 30.983 3.357 7.134 1.00 0.00 C ATOM 1077 O GLY A 73 31.982 4.052 7.360 1.00 0.00 O ATOM 0 H GLY A 73 29.057 2.187 5.056 1.00 0.00 H new ATOM 0 HA2 GLY A 73 30.232 4.748 5.689 1.00 0.00 H new ATOM 0 HA3 GLY A 73 28.986 3.881 6.564 1.00 0.00 H new ATOM 1081 N GLY A 74 30.734 2.197 7.756 1.00 0.00 N ATOM 1082 CA GLY A 74 31.633 1.649 8.772 1.00 0.00 C ATOM 1083 C GLY A 74 31.280 2.105 10.188 1.00 0.00 C ATOM 1084 O GLY A 74 32.182 2.218 11.042 1.00 0.00 O ATOM 1085 OXT GLY A 74 30.085 2.334 10.464 1.00 0.00 O ATOM 0 H GLY A 74 29.913 1.620 7.570 1.00 0.00 H new ATOM 0 HA2 GLY A 74 31.602 0.560 8.728 1.00 0.00 H new ATOM 0 HA3 GLY A 74 32.656 1.948 8.544 1.00 0.00 H new TER 1089 GLY A 74